Glycoside
GD080679
Name:
NoneFormula:
C14H19O9N2ClSSmiles:
Cc1cnc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1ClAglycone:
COS(O)(O)O.Cc1cnc(C(N)=O)cc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.82 | Num_heavy_atoms: | 26 |
| TPSA: | 181.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD27543
Formula: C8H7ON2Cl
Smiles:
Cc1cnc(C(N)=O)cc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.6 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
